SCHEMBL2319533

SCHEMBL2319533

CN1CCCC(Oc2nc(Br)cnc2N)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ RORC P51449 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2321650 0.86 LRRK2 (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3141781 0.81 JAK3 (0.35) PDGFRB
SCHEMBL2317595 0.80 PTPN11 (0.39) PIM1PIM2PIM3
SCHEMBL2318507 0.80 ROCK2 (0.52) CHRM2CHRM1CHRM3ATR
SCHEMBL25029153 0.78 PIK3CD (0.38) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23021957 0.76 HRH3 (0.45) —
SCHEMBL16041951 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL16040484 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL16039898 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL25381756 0.74 HMOX1 (0.42) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830853-B1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES NOVARTIS AG (CH) 2011-08-10 — — EP disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 — — US disclosed
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2008-10-30 — — US disclosed
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ALCON, INC. 2006-06-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA CHRM2 1162/4885CHRM1 1961/4885CHRM3 1016/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA CHRM2 1162/4885CHRM1 1961/4885CHRM3 1016/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA CHRM2 1162/4885CHRM1 1961/4885CHRM3 1016/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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